2-methyl-1,2-benzodiazepine

C10H10N2 — CID 175301710

IUPAC2-methyl-1,2-benzodiazepine
SMILESCN1C=CC=c2ccccc2=N1
InChIInChI=1S/C10H10N2/c1-12-8-4-6-9-5-2-3-7-10(9)11-12/h2-8H,1H3
InChIKeyANENLIHSTMOZGM-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.46
Rot. Bonds

About 2-methyl-1,2-benzodiazepine

2-methyl-1,2-benzodiazepine (PubChem CID 175301710) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-methyl-1,2-benzodiazepine.

Molecular Properties

Compound Name2-methyl-1,2-benzodiazepine
PubChem CID175301710
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name2-methyl-1,2-benzodiazepine
SMILESCN1C=CC=c2ccccc2=N1
InChIInChI=1S/C10H10N2/c1-12-8-4-6-9-5-2-3-7-10(9)11-12/h2-8H,1H3
InChIKeyANENLIHSTMOZGM-UHFFFAOYSA-N
XLogP0.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,2-Benzodiazepin-2-amine
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2-Methylsulfanyl-1,2-benzodiazepine;hydroiodide
CID 20258269
2-Nitroso-1,2-benzodiazepine
CID 20309429
N-methyl-1,2-benzodiazepin-2-amine
CID 21396036
1,2-Benzodiazepin-2-ylhydrazine
CID 22768413
1,3-Dimethyldiazepine
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1,4-Benzodiazepin-4-amine;hydrochloride
CID 69060668

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2-benzodiazepine?
The IUPAC name of 2-methyl-1,2-benzodiazepine (CID 175301710) is 2-methyl-1,2-benzodiazepine.
What is the SMILES notation for 2-methyl-1,2-benzodiazepine?
The canonical SMILES for 2-methyl-1,2-benzodiazepine is CN1C=CC=c2ccccc2=N1.
What is the InChIKey of 2-methyl-1,2-benzodiazepine?
The InChIKey is ANENLIHSTMOZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-12-8-4-6-9-5-2-3-7-10(9)11-12/h2-8H,1H3.
What are the key properties of 2-methyl-1,2-benzodiazepine?
2-methyl-1,2-benzodiazepine has a molecular weight of 158.20 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2-benzodiazepine is sourced from PubChem (CID 175301710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).